8-BROMOXANTHINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H3BrN4O2
Molecular Weight	231.007
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-BROMOXANTHINE

Structure Search

SMILES

BrC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChIKey=ZFQWSCZYQLPFFZ-UHFFFAOYSA-N

InChI=1S/C5H3BrN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C5H3BrN4O2
Molecular Weight	231.007
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:46:23 GMT 2025` Edited by `admin` on `Mon Mar 31 17:46:23 GMT 2025`
Record UNII	1JQ13K1223
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-24131

Preferred Name

English

8-BROMOXANTHINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-BROMO-3,9-DIHYDRO-

Systematic Name

English

XANTHINE, 8-BROMO-

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-BROMO-3,7-DIHYDRO-

Systematic Name

English

8-BROMOPURINE-2,6-DIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80145903

Created by admin on Mon Mar 31 17:46:23 GMT 2025 , Edited by admin on Mon Mar 31 17:46:23 GMT 2025

PRIMARY

PUBCHEM

25198

Created by admin on Mon Mar 31 17:46:23 GMT 2025 , Edited by admin on Mon Mar 31 17:46:23 GMT 2025

PRIMARY

CAS

10357-68-3

Created by admin on Mon Mar 31 17:46:23 GMT 2025 , Edited by admin on Mon Mar 31 17:46:23 GMT 2025

PRIMARY

NSC

24131

Created by admin on Mon Mar 31 17:46:23 GMT 2025 , Edited by admin on Mon Mar 31 17:46:23 GMT 2025

PRIMARY

FDA UNII

1JQ13K1223

Created by admin on Mon Mar 31 17:46:23 GMT 2025 , Edited by admin on Mon Mar 31 17:46:23 GMT 2025

PRIMARY